[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone

C11H15NO2S — CID 86771532

IUPAC[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCC1(CO)CCCN1C(=O)c1ccsc1
InChIInChI=1S/C11H15NO2S/c1-11(8-13)4-2-5-12(11)10(14)9-3-6-15-7-9/h3,6-7,13H,2,4-5,8H2,1H3
InChIKeyYKJPHYPLQGUADE-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.74
Rot. Bonds2

About [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone

[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 86771532) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID86771532
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCC1(CO)CCCN1C(=O)c1ccsc1
InChIInChI=1S/C11H15NO2S/c1-11(8-13)4-2-5-12(11)10(14)9-3-6-15-7-9/h3,6-7,13H,2,4-5,8H2,1H3
InChIKeyYKJPHYPLQGUADE-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 86771532) is [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone is CC1(CO)CCCN1C(=O)c1ccsc1.
What is the InChIKey of [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is YKJPHYPLQGUADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-11(8-13)4-2-5-12(11)10(14)9-3-6-15-7-9/h3,6-7,13H,2,4-5,8H2,1H3.
What are the key properties of [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone?
[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 225.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 86771532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).